1.0 2010-04-08 22:04:29 UTC 2025-11-18 22:16:30 UTC FDB000232 Sanguisorbic acid dilactone A polyphenol compound found in foods of plant origin (PhenolExplorer). C21H10O13 470.2963 470.012140406 3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-5-yl}oxy)benzoic acid 3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-5-yl}oxy)benzoic acid OC(=O)C1=CC(OC2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)=C(O)C(O)=C1 InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29) DBLLWHYTKRSJEV-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans 7,8-dihydroxycoumarins Benzoic acids Benzoyl derivatives Carboxylic acids Catechols Diarylethers Ellagic acids and derivatives Gallic acid and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenol ethers Phenoxy compounds Polyols Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran 7,8-dihydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid Carboxylic acid derivative Catechol Coumarin Diaryl ether Dihydroxybenzoic acid Ellagic_acid Ether Gallic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Hydrolyzable tannin Hydroxybenzoic acid Isocoumarin Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Vinylogous ester logp 2.56 ALOGPS logs -3.49 ALOGPS solubility 1.53e-01 g/l ALOGPS logp 2.87 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-5-yl}oxy)benzoic acid ChemAxon average_mass 470.2963 ChemAxon mono_mass 470.012140406 ChemAxon smiles OC(=O)C1=CC(OC2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)=C(O)C(O)=C1 ChemAxon formula C21H10O13 ChemAxon inchi InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29) ChemAxon inchikey DBLLWHYTKRSJEV-UHFFFAOYSA-N ChemAxon polar_surface_area 220.51 ChemAxon refractivity 108.07 ChemAxon polarizability 40.97 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96519 Specdb::MsMs 96520 Specdb::MsMs 96521 Specdb::MsMs 161010 Specdb::MsMs 161011 Specdb::MsMs 161012 Specdb::MsMs 2278544 Specdb::MsMs 2278545 Specdb::MsMs 2278546 Specdb::MsMs 3087709 Specdb::MsMs 3087710 Specdb::MsMs 3087711 Specdb::CMs 19652 Specdb::CMs 41237 Specdb::CMs 160674 Specdb::CMs 160677 Specdb::CMs 160679 Specdb::CMs 160680 Specdb::CMs 160682 Specdb::CMs 160684 Specdb::CMs 160686 Specdb::CMs 160689 Specdb::CMs 160691 Specdb::CMs 160693 Specdb::CMs 160695 Specdb::CMs 160696 Specdb::CMs 172695 Specdb::CMs 280295 HMDB0029274